N'-ethyl-1-(2-methoxy-4-propan-2-ylphenyl)ethane-1,2-diamine

C14H24N2O — CID 116934906

IUPACN'-ethyl-1-(2-methoxy-4-propan-2-ylphenyl)ethane-1,2-diamine
SMILESCCNCC(N)c1ccc(C(C)C)cc1OC
InChIInChI=1S/C14H24N2O/c1-5-16-9-13(15)12-7-6-11(10(2)3)8-14(12)17-4/h6-8,10,13,16H,5,9,15H2,1-4H3
InChIKeyFLANLKBCRDLYND-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.43
Rot. Bonds6

About N'-ethyl-1-(2-methoxy-4-propan-2-ylphenyl)ethane-1,2-diamine

N'-ethyl-1-(2-methoxy-4-propan-2-ylphenyl)ethane-1,2-diamine (PubChem CID 116934906) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N'-ethyl-1-(2-methoxy-4-propan-2-ylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-1-(2-methoxy-4-propan-2-ylphenyl)ethane-1,2-diamine
PubChem CID116934906
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN'-ethyl-1-(2-methoxy-4-propan-2-ylphenyl)ethane-1,2-diamine
SMILESCCNCC(N)c1ccc(C(C)C)cc1OC
InChIInChI=1S/C14H24N2O/c1-5-16-9-13(15)12-7-6-11(10(2)3)8-14(12)17-4/h6-8,10,13,16H,5,9,15H2,1-4H3
InChIKeyFLANLKBCRDLYND-UHFFFAOYSA-N
XLogP2.43
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-ethyl-1-(2-methoxy-4-propan-2-ylphenyl)-N-methylethane-1,2-diamine
CID 116950339
1-(2-methoxy-4-propan-2-ylphenyl)butane-1,3-diamine
CID 116933264
N'-ethyl-1-(2,4,5-trimethoxyphenyl)ethane-1,2-diamine
CID 116934954
amino-(2-methoxy-4-propan-2-ylphenyl)methanol
CID 116939637
N'-ethyl-1-(4-methoxy-2,3-dimethylphenyl)ethane-1,2-diamine
CID 116934913
1-(2-methoxy-5-propan-2-ylphenyl)-N'-propan-2-ylethane-1,2-diamine
CID 116935024
methyl 4-amino-4-(2-methoxy-4-propan-2-ylphenyl)butanoate
CID 116940203
1-(4,5-dimethoxy-2-methylphenyl)-N'-ethylethane-1,2-diamine
CID 116934918
N'-ethyl-1-(3-fluoro-4-methoxyphenyl)ethane-1,2-diamine
CID 116934854
1-(2-methoxy-4-propan-2-ylphenyl)ethylhydrazine
CID 82470592
1-(2,5-dimethoxy-3,4-dimethylphenyl)-N'-ethylethane-1,2-diamine
CID 116934991
N'-ethyl-1-(4-methoxy-3-propan-2-ylphenyl)-N-methylethane-1,2-diamine
CID 116950303

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-1-(2-methoxy-4-propan-2-ylphenyl)ethane-1,2-diamine?
The IUPAC name of N'-ethyl-1-(2-methoxy-4-propan-2-ylphenyl)ethane-1,2-diamine (CID 116934906) is N'-ethyl-1-(2-methoxy-4-propan-2-ylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-1-(2-methoxy-4-propan-2-ylphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-1-(2-methoxy-4-propan-2-ylphenyl)ethane-1,2-diamine is CCNCC(N)c1ccc(C(C)C)cc1OC.
What is the InChIKey of N'-ethyl-1-(2-methoxy-4-propan-2-ylphenyl)ethane-1,2-diamine?
The InChIKey is FLANLKBCRDLYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-5-16-9-13(15)12-7-6-11(10(2)3)8-14(12)17-4/h6-8,10,13,16H,5,9,15H2,1-4H3.
What are the key properties of N'-ethyl-1-(2-methoxy-4-propan-2-ylphenyl)ethane-1,2-diamine?
N'-ethyl-1-(2-methoxy-4-propan-2-ylphenyl)ethane-1,2-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-1-(2-methoxy-4-propan-2-ylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 116934906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).